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18800-34-5 | Benzene, 1-(2-bromoethoxy)-4-methyl-
CAS No: 18800-34-5 Catalog No: AG002GNE MDL No:MFCD00082852
Product Description
Catalog Number:
AG002GNE
Chemical Name:
Benzene, 1-(2-bromoethoxy)-4-methyl-
CAS Number:
18800-34-5
Molecular Formula:
C9H11BrO
Molecular Weight:
215.0870
MDL Number:
MFCD00082852
IUPAC Name:
1-(2-bromoethoxy)-4-methylbenzene
InChI:
InChI=1S/C9H11BrO/c1-8-2-4-9(5-3-8)11-7-6-10/h2-5H,6-7H2,1H3
InChI Key:
VCYNKCKSPFGUSA-UHFFFAOYSA-N
SMILES:
BrCCOc1ccc(cc1)C
NSC Number:
28592
Properties
Complexity:
97.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.999g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.09g/mol
Monoisotopic Mass:
213.999g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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